# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.23619605
_cell_length_b   5.97075510
_cell_length_c   4.65491719
_cell_angle_alpha   90.00002115
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li4 Fe4 P4 O16'
_cell_volume   284.49838986
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  Li  Li3  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe4  1  0.78115127  0.25000000  0.52986573  1
  Fe  Fe5  1  0.71884873  0.75000000  0.02986773  1
  Fe  Fe6  1  0.28115127  0.25000000  0.97013327  1
  Fe  Fe7  1  0.21884873  0.75000000  0.47013327  1
  P  P8  1  0.09386630  0.25000000  0.41862257  1
  P  P9  1  0.40613370  0.75000000  0.91862357  1
  P  P10  1  0.59386630  0.25000000  0.08137543  1
  P  P11  1  0.90613370  0.75000000  0.58137643  1
  O  O12  1  0.09423067  0.25000000  0.74478656  1
  O  O13  1  0.83415452  0.54555803  0.71373534  1
  O  O14  1  0.83415452  0.95444297  0.71373534  1
  O  O15  1  0.90577033  0.75000000  0.25521444  1
  O  O16  1  0.04430856  0.75000000  0.70986445  1
  O  O17  1  0.40576933  0.75000000  0.24478556  1
  O  O18  1  0.16584548  0.04555803  0.28626566  1
  O  O19  1  0.66584548  0.45444197  0.21373434  1
  O  O20  1  0.33415452  0.54555803  0.78626566  1
  O  O21  1  0.33415452  0.95444297  0.78626566  1
  O  O22  1  0.95569144  0.25000000  0.29013655  1
  O  O23  1  0.45569144  0.25000000  0.20986345  1
  O  O24  1  0.54430856  0.75000000  0.79013755  1
  O  O25  1  0.59423067  0.25000000  0.75521544  1
  O  O26  1  0.66584548  0.04555803  0.21373434  1
  O  O27  1  0.16584548  0.45444197  0.28626566  1
